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Chemical Space Python Packages

Python packages with the GitHub topic chemical-space. Sorted by relevance, with stars and monthly downloads.
DrrDom
crem

CReM: chemically reasonable mutations framework

4K 276 44
mcsorkun
chemplot

A python package for chemical space visualization.

831 153 35
ale94mleon
moldrug

moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​

725 41 7
gmattedi
chemicalspace

Object-oriented Representation for Chemical Spaces

167 2 0
AspirinCode
qrci

Quantitative Ring Complexity Index

166 10 2
    • Data from PyPI, GitHub, ClickHouse, and BigQuery